Dear Brian,
This is one of mine. It will be fixed in the next release, but meanwhile
here is a temporary fix:
Remove the error message in
/usr/local/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py line 3877,
and replace it with the following:
print ("WARNING Cannot load - %s data. no headObject for storage." % self.package)
print ("Storage %s is superfluous - you might want to delete it. " % self.serial)
return
Now an explanation:
The NmrConstraintHead has a link to a storage object, that tells it where
to look for the file to load. When you delete the NmrConstraintHead the
Storage is not automatically delteted (you might want to use it again).
On the other hand you cannot load the data when there is no
NmrConstraintHead to link them to. Until now, orphaned Storages saused an
error, now they only trigger a warning.
---------------------------------------------------------------------------
Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Thu, 9 Sep 2004, Brian Smith wrote:
> Hi,
>
> I was messing about with Structure -> Shift Match Dist.
> Constraints and then deleted the Constraint sets from my trial/failed
> runs. Now when I try to rerun I get the following traceback and although
> Constraint sets and Constraint lists are created they are empty.
>
> Brian
>
> BTW Structure -> Shift Match Dist. Constraints doesn't seem to take the
> bonded heteronucleus shift into account in generating the constraints, at
> least in the b16 version. I'll test the b17 version as soon as I can
> resolve the problem above/below!
>
> >>> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/usr/lib64/python2.2/lib-tk/Tkinter.py", line 1316, in __call__
> return apply(self.func, args)
> File
> "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/CalcAmbigDistConstraintsPopup.py",
> line 708, in calculateConstraints
> ignoreDiagonals=self.ignoreDiagonals,
> intensityType=self.intensityType)
> File
> "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ConstraintBasic.py",
> line 466, in makeAmbigDistConstraints
> fixedResonance0 = getFixedResonance(constraintHead,resonance0)
> File
> "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ConstraintBasic.py",
> line 84, in getFixedResonance
> fixedAtomSets.append( getFixedAtomSet(nmrConstraintHead,
> atomSet.atoms) )
> File
> "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ConstraintBasic.py",
> line 55, in getFixedAtomSet
> fixedAtomSet =
> NmrConstraints.FixedAtomSet(nmrConstraintHead,atoms=atomSet.atoms,name=atomSet.name)
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/NmrConstraints.py",
> line 9966, in __init__
> setattr(self, key, value)
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/NmrConstraints.py",
> line 10206, in setAtoms
> junk = v.fixedAtomSets
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/MolSystem.py", line
> 697, in getFixedAtomSets
> os.load()
> File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
> line 3877, in load
> raise ApiError("Cannot load - %s data. no headObject for storage %s" %
> (self.package,self.serial))
> ApiError: Cannot load - ccp.NmrConstraints data. no headObject for storage
> 53
>
>
> --
> Dr. Brian O. Smith ---------------------- B.Smith at bio.gla.ac.uk
> Division of Biochemistry & Molecular Biology,
> Institute Biomedical & Life Sciences,
> Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
> Tel: 0141 330 5167/6459 Fax: 0141 330 8640
>
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